About: Simulations of the Temperature Dependence of Amide I Vibration

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	To obtain insights into the origin and size of the temperature solvent effects on the amide I spectra, combined molecular dynamics and density functional simulations were performed with the model N-methylacetamide molecule (NMA). To obtain insights into the origin and size of the temperature solvent effects on the amide I spectra, combined molecular dynamics and density functional simulations were performed with the model N-methylacetamide molecule (NMA). (en)
Title	Simulations of the Temperature Dependence of Amide I Vibration Simulations of the Temperature Dependence of Amide I Vibration (en)
skos:prefLabel	Simulations of the Temperature Dependence of Amide I Vibration Simulations of the Temperature Dependence of Amide I Vibration (en)
skos:notation	RIV/61388963:_____/11:00359011!RIV12-AV0-61388963
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GPP208/10/P356), P(IAA400550702), Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika	1
http://linked.open...vai/riv/dodaniDat	2012
http://linked.open...aciTvurceVysledku	Bouř, Petr Kaminský, Jakub
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	229504
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/11:00359011
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	IR; peptides; simulations (en)
http://linked.open.../riv/klicoveSlovo	peptides simulations IR
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[18FE2D5CAA4D]
http://linked.open...i/riv/nazevZdroje	Journal of Physical Chemistry A
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Development of precise molecular mechanic force fields for vibrational spectroscopy Spectroscopic and theoretical methods for non-covalent molecular interactions
http://linked.open...UplatneniVysledku	2011
http://linked.open...v/svazekPeriodika	115
http://linked.open...iv/tvurceVysledku	Bouř, Petr Kaminský, Jakub Kubelka, J.
http://linked.open...ain/vavai/riv/wos	000285818500006
http://linked.open...n/vavai/riv/zamer	Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství
issn	1089-5639
number of pages	5 (xsd:int)
http://bibframe.org/vocab/doi	10.1021/jp1084839

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